SCHEMBL3782136

SCHEMBL3782136

CC(C)(C)C(=O)N(C(=O)C(C)(C)C)c1cc2cc-2c1.OBO

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3786686 0.76 KMT2A (0.56) MEN1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL3789282 0.76 BRD4 (0.35)
SCHEMBL3787025 0.72
SCHEMBL3785141 0.71 MEN1 (0.32) MEN1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL3783931 0.69 KMO (0.40) KMT2ASMN1; SMN2
SCHEMBL3789995 0.66 TSHR (0.39) MEN1CYP3A4KMT2ASMN1; SMN2
SCHEMBL22279381 0.64 ELANE (0.47) MEN1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL1454223 0.61 GABRA1 (0.48) MEN1CYP2C9CYP2C19KMT2ARXRA
SCHEMBL9474692 0.61 KMT2A (0.58) MEN1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL3785230 0.61 ALDH1A1 (0.42) MEN1CYP3A4CYP2C9CYP2C19KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 MEN1 174/4885CYP3A4 177/4885CYP2C9 157/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.